(2-methylimidazo[1,2-a]pyridin-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphane

C22H27N6O4P — CID 4049794

IUPAC(2-methylimidazo[1,2-a]pyridin-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphane
SMILESCc1nc2ccccn2c1P(=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C22H27N6O4P/c1-18-22(27-9-3-2-4-21(27)23-18)33(25-10-14-31-15-11-25,26-12-16-32-17-13-26)24-19-5-7-20(8-6-19)28(29)30/h2-9H,10-17H2,1H3
InChIKeyCFDTYTFTDSIQQJ-UHFFFAOYSA-N
MW470.47 g/mol
LogP3.20
Rot. Bonds5

About (2-methylimidazo[1,2-a]pyridin-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphane

(2-methylimidazo[1,2-a]pyridin-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphane (PubChem CID 4049794) has the molecular formula C22H27N6O4P and a molecular weight of 470.47 g/mol. Its IUPAC name is (2-methylimidazo[1,2-a]pyridin-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphane.

Molecular Properties

Compound Name(2-methylimidazo[1,2-a]pyridin-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphane
PubChem CID4049794
Molecular FormulaC22H27N6O4P
Molecular Weight470.47 g/mol
Exact Mass470.18
IUPAC Name(2-methylimidazo[1,2-a]pyridin-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphane
SMILESCc1nc2ccccn2c1P(=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C22H27N6O4P/c1-18-22(27-9-3-2-4-21(27)23-18)33(25-10-14-31-15-11-25,26-12-16-32-17-13-26)24-19-5-7-20(8-6-19)28(29)30/h2-9H,10-17H2,1H3
InChIKeyCFDTYTFTDSIQQJ-UHFFFAOYSA-N
XLogP3.20
TPSA97.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.47
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methylimidazo[1,2-a]pyridin-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphane?
The IUPAC name of (2-methylimidazo[1,2-a]pyridin-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphane (CID 4049794) is (2-methylimidazo[1,2-a]pyridin-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphane.
What is the SMILES notation for (2-methylimidazo[1,2-a]pyridin-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphane?
The canonical SMILES for (2-methylimidazo[1,2-a]pyridin-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphane is Cc1nc2ccccn2c1P(=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of (2-methylimidazo[1,2-a]pyridin-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphane?
The InChIKey is CFDTYTFTDSIQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N6O4P/c1-18-22(27-9-3-2-4-21(27)23-18)33(25-10-14-31-15-11-25,26-12-16-32-17-13-26)24-19-5-7-20(8-6-19)28(29)30/h2-9H,10-17H2,1H3.
What are the key properties of (2-methylimidazo[1,2-a]pyridin-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphane?
(2-methylimidazo[1,2-a]pyridin-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphane has a molecular weight of 470.47 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylimidazo[1,2-a]pyridin-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphane is sourced from PubChem (CID 4049794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).